SCHEMBL3436628

SCHEMBL3436628

Cc1cccnc1N1CC[C@@H](O)[C@@H](O)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.49
KMT2A Q03164 1/20 0.49
TRPV1 Q8NER1 2/20 0.47
MALT1 Q9UDY8 2/20 0.46
LCAT P04180 1/20 0.46
SMO Q99835 1/20 0.44
DRD4 P21917 1/20 0.43
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ELANE P08246 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3436511 0.90 SMO (0.53) HSD11B1KMT2ATRPV1MALT1LCAT
SCHEMBL17206944 0.85 HSD11B1 (0.50) HSD11B1KMT2ATRPV1MALT1LCAT
SCHEMBL3552058 0.85 KMT2A (0.61) HSD11B1KMT2ATRPV1MALT1ALDH1A1
SCHEMBL11962835 0.84 SMO (0.48) HSD11B1KMT2ATRPV1MALT1SMO
SCHEMBL2804196 0.83 HSD11B1 (0.49) HSD11B1KMT2ATRPV1MALT1KDM4E
SCHEMBL14818776 0.83 HSD11B1 (0.44) HSD11B1KMT2ATRPV1MALT1LCAT
SCHEMBL238160 0.81 KDM4E (0.60) HSD11B1KMT2ATRPV1MALT1KDM4E
SCHEMBL24126285 0.81 HSD11B1 (0.47) HSD11B1KMT2ATRPV1MALT1LCAT
SCHEMBL15966094 0.80 HSD11B1 (0.55) HSD11B1TRPV1DRD4
SCHEMBL18228586 0.80 HSD11B1 (0.55) HSD11B1TRPV1DRD4KDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 HSD11B1 3972/4885KMT2A 1707/4885TRPV1 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.